3-溴-2-氯苯乙腈 | 1261438-68-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-溴-2-氯苯乙腈
• 英文名称: 2-(3-bromo-2-chlorophenyl)acetonitrile
• CAS: 1261438-68-9
• 化学式: C₈H₅BrClN
• 分子量: 230.491
• InChiKey: JFZBZXFNUIULCL-UHFFFAOYSA-N

物化性质

• 沸点：
  324.0±27.0 °C(Predicted)
• 密度：
  1.603±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-溴-2-氯苯乙腈 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium phosphate 、 硫酸 、 [4-(di-tert-butylphosphino)-N,N-dimethylaniline-2-(2'-aminobiphenyl)]palladium(II) methanesulfonate 、 sodium methylate 、 potassium acetate 、 溶剂黄146 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 24.0h， 生成 3-(2-chloro-4'-((5-methyl-2-oxopyridin-1(2H)-yl)methyl)-[1,1'-biphenyl]-3-yl)piperidine-2,6-dione
  参考文献：
  名称：

  TARGETED DEGRADATION OF VAV1

  摘要：

  This disclosure features chemical entities (e.g., a compound or a pharmaceutically acceptable salt thereof) that degrades Proto-oncogene VAV 1 protein (VAV1). The chemical entities are useful, e.g., for treating a subject (e.g., a human subject) having an inflammatory or autoimmune disorder.

  公开号：

  WO2024151547A1
• 作为产物：
  描述：

  3-溴-2-氯甲苯 在 N-溴代丁二酰亚胺(NBS) 、 四丁基氟化铵 、 过氧化苯甲酰 作用下， 以 四氢呋喃 、 四氯化碳 、 二氯甲烷 为溶剂， 反应 17.5h， 生成 3-溴-2-氯苯乙腈
  参考文献：
  名称：

  TARGETED DEGRADATION OF VAV1

  摘要：

  This disclosure features chemical entities (e.g., a compound or a pharmaceutically acceptable salt thereof) that degrades Proto-oncogene VAV 1 protein (VAV1). The chemical entities are useful, e.g., for treating a subject (e.g., a human subject) having an inflammatory or autoimmune disorder.

  公开号：

  WO2024151547A1

文献信息

• [EN] BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS<br/>[FR] COMPOSÉS DE BENZIMIDAZOLONE ET DE BENZOTHIAZOLONE ET LEUR UTILISATION COMME MODULATEURS DES RÉCEPTEURS AMPA
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2016176449A1

  公开（公告）日：2016-11-03

  Provided herein are compounds of Formula (I), and pharmaceutically acceptable salts, N-oxides, or solvates thereof, Also provided herein are pharmaceutical compositions comprising compounds of Formula (I) and methods of using compounds of Formula (I).

  本文提供了式（I）的化合物，以及其药用盐、N-氧化物或溶剂化合物。本文还提供了包含式（I）化合物的药物组合物以及使用式（I）化合物的方法。
• Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators
  申请人：Janssen Pharmaceutica NV

  公开号：US10611730B2

  公开（公告）日：2020-04-07

  Provided herein are compounds of Formula (I), and pharmaceutically acceptable salts, N-oxides, or solvates thereof, Also provided herein are pharmaceutical compositions comprising compounds of Formula (I) and methods of using compounds of Formula (I).

  本文提供的是式 (I) 化合物及其药学上可接受的盐、N-氧化物或溶解物、 本文还提供了包含式（I）化合物的药物组合物和式（I）化合物的使用方法。
• BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS
  申请人：Janssen Pharmaceutica NV

  公开号：EP3288936A1

  公开（公告）日：2018-03-07
• [EN] BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF<br/>[FR] DÉRIVÉS DE BENZO[C][2,6]NAPHTYRIDINE, COMPOSITIONS ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：[en]CAMBRIDGE ENTERPRISE LIMITED

  公开号：WO2022185041A1

  公开（公告）日：2022-09-09

  Provided are compounds of the Formula I, and salts, hydrates and solvates thereof: wherein R1, Q, Ra, Rb, Rc, Rd and Re are each as defined in the specification. The compounds are inhibitors of Casein Kinase 2 alpha (CK2α) and are useful for the treatment and/or prevention of diseases and conditions in which CK2α activity is implicated, such as, for example, but not limited to, the treatment and/or prevention of proliferative disorders (e.g. cancer), viral infections, inflammation, diabetes, vascular and ischemic disorders, neurodegeneration and the regulation of circadian rhythm. The present invention also relates to pharmaceutical compositions comprising the compounds defined herein, to processes for synthesising these compounds and to their use for the treatment of diseases and/or conditions in which CK2α activity is implicated.